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{
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"structure_string": "Ag4 H80 S24 N20 O36\n1.0\n10.991420 0.000000 0.000000\n0.000000 10.168229 0.000000\n0.000000 1.143445 16.000302\nAg H S N O\n4 80 24 20 36\ndirect\n0.935964 0.827444 0.539919 Ag\n0.435964 0.172556 0.960081 Ag\n0.064036 0.172556 0.460081 Ag\n0.564036 0.827444 0.039919 Ag\n0.123123 0.879533 0.778794 H\n0.623123 0.120467 0.721206 H\n0.876877 0.120467 0.221206 H\n0.376877 0.879533 0.278794 H\n0.028278 0.879053 0.863110 H\n0.528278 0.120947 0.636890 H\n0.971722 0.120947 0.136890 H\n0.471722 0.879053 0.363110 H\n0.997961 0.978010 0.779945 H\n0.497961 0.021990 0.720055 H\n0.002039 0.021990 0.220055 H\n0.502039 0.978010 0.279945 H\n0.121286 0.009047 0.840948 H\n0.621286 0.990953 0.659052 H\n0.878714 0.990953 0.159052 H\n0.378714 0.009047 0.340948 H\n0.939192 0.513898 0.808950 H\n0.439192 0.486102 0.691050 H\n0.060808 0.486102 0.191050 H\n0.560808 0.513898 0.308950 H\n0.947420 0.388880 0.888433 H\n0.447420 0.611120 0.611567 H\n0.052580 0.611120 0.111567 H\n0.552580 0.388880 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O\n0.174254 0.752874 0.705069 O\n0.674254 0.247126 0.794931 O\n0.825746 0.247126 0.294931 O\n0.325746 0.752874 0.205069 O\n",
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"elements": [
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],
"chemical_system": "Ag-H-N-O-S",
"density": 1.985111415521121,
"density_atomic": 0.09170996895283995,
"volume": 1788.24616203211,
"volume_molar": 6.566506159321424,
"formula_full": "Ag4 H80 S24 N20 O36",
"formula_reduced": "AgH20S6N5O9",
"formula_anonymous": "AB5C6D9E20",
"energy": -866.1163321500001,
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"updated_at": "2021-11-28T01:37:06.759000Z",
"spacegroup": 14
},
{
"id": "mp-1179600",
"created_at": "2022-09-04T14:40:24.466844Z",
"structure_string": "Zn4 H64 C16 S16 N40 O24\n1.0\n24.717328 0.000000 0.000000\n0.000000 10.454229 -0.000000\n0.000000 -0.000000 9.113946\nZn H C S N O\n4 64 16 16 40 24\ndirect\n0.469575 0.750000 0.750000 Zn\n0.030425 0.250000 0.250000 Zn\n0.530425 0.250000 0.250000 Zn\n0.969575 0.750000 0.750000 Zn\n0.689597 0.114181 0.759736 H\n0.689597 0.385819 0.740264 H\n0.810403 0.885819 0.259736 H\n0.810403 0.614181 0.240264 H\n0.310403 0.885819 0.240264 H\n0.310403 0.614181 0.259736 H\n0.189597 0.114181 0.740264 H\n0.189597 0.385819 0.759736 H\n0.634120 0.152833 0.873541 H\n0.634120 0.347167 0.626459 H\n0.865880 0.847167 0.373541 H\n0.865880 0.652833 0.126459 H\n0.365880 0.847167 0.126459 H\n0.365880 0.652833 0.373541 H\n0.134120 0.152833 0.626459 H\n0.134120 0.347167 0.873541 H\n0.634819 0.826972 0.627321 H\n0.634819 0.673028 0.872679 H\n0.865181 0.173028 0.127321 H\n0.865181 0.326972 0.372679 H\n0.365181 0.173028 0.372679 H\n0.365181 0.326972 0.127321 H\n0.134819 0.826972 0.872679 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O\n0.751872 0.772091 0.985053 O\n0.251872 0.727909 0.985053 O\n0.251872 0.772091 0.514947 O\n0.248128 0.272091 0.485053 O\n0.248128 0.227909 0.014947 O\n",
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"elements": [
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],
"chemical_system": "C-H-N-O-S-Zn",
"density": 1.39299675182027,
"density_atomic": 0.06963761155323397,
"volume": 2355.049180206753,
"volume_molar": 8.647827841419312,
"formula_full": "Zn4 H64 C16 S16 N40 O24",
"formula_reduced": "ZnH16C4S4(N5O3)2",
"formula_anonymous": "AB4C4D6E10F16",
"energy": -936.97206934,
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"energy_above_hull": null,
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"energy_uncorrected": -906.04406934,
"band_gap": 1.2933,
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"total_magnetization": 8.0000003,
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"updated_at": "2021-11-28T01:34:58.400000Z",
"spacegroup": 56
},
{
"id": "mp-607785",
"created_at": "2022-09-04T14:46:24.275987Z",
"structure_string": "Rb12 Li2 Nd22 Se24 Cl32 O72\n1.0\n-8.009616 8.009616 12.578987\n8.009616 -8.009616 12.578987\n8.009616 8.009616 -12.578987\nRb Li Nd Se Cl O\n12 2 22 24 32 72\ndirect\n0.629666 0.620258 0.249924 Rb\n0.379742 0.629666 0.009407 Rb\n0.876655 0.376655 0.253309 Rb\n0.123345 0.623345 0.746691 Rb\n0.623345 0.876655 0.500000 Rb\n0.870334 0.120258 0.990593 Rb\n0.620258 0.370334 0.990593 Rb\n0.129666 0.879742 0.009407 Rb\n0.120258 0.129666 0.249924 Rb\n0.370334 0.379742 0.750076 Rb\n0.879742 0.870334 0.750076 Rb\n0.376655 0.123345 0.500000 Rb\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.996679 0.254160 0.500000 Nd\n0.254160 0.754160 0.257480 Nd\n0.250000 0.507048 0.257048 Nd\n0.250000 0.250000 0.000000 Nd\n0.007048 0.750000 0.257048 Nd\n0.500000 0.000000 0.000000 Nd\n0.503321 0.003321 0.257480 Nd\n0.000000 0.000000 0.500000 Nd\n0.245840 0.503321 0.500000 Nd\n0.750000 0.492952 0.742952 Nd\n0.992952 0.250000 0.742952 Nd\n0.250000 0.992952 0.742952 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Cl\n0.159090 0.417097 0.726511 Cl\n0.684376 0.662162 0.500000 Cl\n0.923084 0.594005 0.912765 O\n0.440992 0.063143 0.869586 O\n0.063857 0.683209 0.376229 O\n0.071405 0.693557 0.130414 O\n0.489682 0.818760 0.912765 O\n0.683209 0.306980 0.619352 O\n0.337982 0.175925 0.913055 O\n0.405995 0.318760 0.329079 O\n0.575074 0.662018 0.837943 O\n0.175925 0.262869 0.837943 O\n0.312372 0.936143 0.619352 O\n0.405292 0.625582 0.500000 O\n0.806443 0.428595 0.869586 O\n0.063143 0.193557 0.622152 O\n0.559008 0.936857 0.130414 O\n0.905995 0.576916 0.087235 O\n0.262869 0.424926 0.086945 O\n0.187628 0.806980 0.623771 O\n0.237131 0.324075 0.162057 O\n0.625582 0.125582 0.220290 O\n0.662018 0.824075 0.086945 O\n0.594005 0.681240 0.670921 O\n0.075074 0.237131 0.913055 O\n0.436143 0.812372 0.619352 O\n0.737131 0.575074 0.913055 O\n0.510318 0.181240 0.087235 O\n0.316791 0.693020 0.380648 O\n0.874418 0.094708 0.500000 O\n0.837982 0.924926 0.162057 O\n0.076916 0.405995 0.087235 O\n0.576916 0.489682 0.670921 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O\n0.010318 0.923084 0.329079 O\n0.428595 0.559008 0.622152 O\n0.181240 0.094005 0.670921 O\n0.059008 0.928595 0.622152 O\n0.989682 0.076916 0.670921 O\n0.924926 0.762869 0.086945 O\n0.162018 0.075074 0.837943 O\n0.423084 0.510318 0.329079 O\n",
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"elements": [
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"density": 4.318224077698107,
"density_atomic": 0.0508059758539529,
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"updated_at": "2021-11-28T01:37:31.731000Z",
"spacegroup": 140
},
{
"id": "mp-649470",
"created_at": "2022-09-04T14:44:53.298861Z",
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"updated_at": "2021-11-28T01:36:43.839000Z",
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},
{
"id": "mp-680306",
"created_at": "2022-09-04T14:39:35.380177Z",
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},
{
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}
]
}